Type:
UnknownAlogP:
3.63Polar Surface Area:
82.19HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA4591851Name:
N1,N3-bis(4-(pyrrolidin-1-yl)benzyl)propane-1,3-diamineMol. Formula:
C25H36N4M.W.:
392.59Type:
UnknownAlogP:
4.16Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA4575612Name:
N1-(4-(pyridin-2-yl)benzyl)-N2-(pyridin-2-ylmethyl)ethane-1,2-diamineMol. Formula:
C20H22N4M.W.:
318.42Type:
UnknownAlogP:
3.02Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS
ALA4572092Name:
N1,N4-bis(4-(pyrrolidin-1-yl)benzyl)butane-1,4-diamineMol. Formula:
C26H38N4M.W.:
406.62Type:
UnknownAlogP:
4.55Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4562396Name:
N1,N4-bis(2-methyl-4-(pyrrolidin-1-yl)benzyl)butane-1,4-diamineMol. Formula:
C28H42N4M.W.:
434.67Type:
UnknownAlogP:
5.16Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.48DETAILS- ALA4560121
Name:
N1,N4-bis(3-methyl-4-(pyrrolidin-1-yl)benzyl)butane-1,4-diamineMol. Formula:
C28H42N4M.W.:
434.67Type:
UnknownAlogP:
5.16Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
4.69Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4531099
Name:
N1,N2-bis(4-(1H-pyrazol-1-yl)benzyl)ethane-1,2-diamineMol. Formula:
C22H24N6M.W.:
372.48Type:
UnknownAlogP:
2.94Polar Surface Area:
59.70HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4474663
Name:
N1,N4-bis(3-fluoro-4-(pyrrolidin-1-yl)benzyl)butane-1,4-diamineMol. Formula:
C26H36F2N4M.W.:
442.60Type:
UnknownAlogP:
4.82Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA4467174
Name:
N1,N2-bis(4-morpholinobenzyl)ethane-1,2-diamineMol. Formula:
C24H34N4O2M.W.:
410.56Type:
UnknownAlogP:
2.24Polar Surface Area:
49.00HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4465575
Name:
N1,N2-bis(4-(thiophen-2-yl)benzyl)ethane-1,2-diamineMol. Formula:
C24H24N2S2M.W.:
404.60Type:
UnknownAlogP:
6.02Polar Surface Area:
24.06HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA4462740
Name:
N1,N2-bis(4-(pyrimidin-2-yl)benzyl)ethane-1,2-diamineMol. Formula:
C24H24N6M.W.:
396.50Type:
UnknownAlogP:
3.48Polar Surface Area:
75.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4461621
Name:
N1,N2-bis(4-(thiazol-2-yl)benzyl)ethane-1,2-diamineMol. Formula:
C22H22N4S2M.W.:
406.58Type:
UnknownAlogP:
4.81Polar Surface Area:
49.84HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4457783
Name:
N1,N2-bis(4-(furan-2-yl)benzyl)ethane-1,2-diamineMol. Formula:
C24H24N2O2M.W.:
372.47Type:
UnknownAlogP:
5.09Polar Surface Area:
50.34HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4456668
Name:
N1,N4-bis(4-(pyrimidin-2-yl)benzyl)butane-1,4-diamineMol. Formula:
C26H28N6M.W.:
424.55Type:
UnknownAlogP:
4.26Polar Surface Area:
75.62HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4455900
Name:
N1,N5-bis(4-(pyrrolidin-1-yl)benzyl)pentane-1,5-diamineMol. Formula:
C27H40N4M.W.:
420.65Type:
UnknownAlogP:
4.94Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4452944
Name:
N1,N2-bis(4-(pyrrolidin-1-yl)benzyl)ethane-1,2-diamineMol. Formula:
C24H34N4M.W.:
378.56Type:
UnknownAlogP:
3.77Polar Surface Area:
30.54HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
5.90Polar Surface Area:
24.06HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA4444271
Name:
N1,N4-bis(4-(pyridin-2-yl)benzyl)butane-1,4-diamineMol. Formula:
C28H30N4M.W.:
422.58Type:
UnknownAlogP:
5.47Polar Surface Area:
49.84HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA4440052
Name:
N1,N2-bis(4-(1H-imidazol-1-yl)benzyl)ethane-1,2-diamineMol. Formula:
C22H24N6M.W.:
372.48Type:
UnknownAlogP:
2.94Polar Surface Area:
59.70HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS
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